1.0 2010-04-08 22:14:00 UTC 2025-11-19 02:15:34 UTC FDB018900 5-O-Digalloyl-3,4-di-O-galloylquinic acid Constituent of commercial tannic acid 3,4-Di-O-galloyl-5-O-digalloylquinic acid 3,4-G-5-diGQA 3,4-Galloyl-5-O-digalloylquinic acid 3,4,5,5-Tetragqa 5-O-Digalloyl-3,4-di-O-galloylquinic acid C35H28O22 800.5836 800.10722258 (1R,3R,4S,5R)-3-[3,5-dihydroxy-4-(3,4,5-trihydroxybenzoyloxy)benzoyloxy]-1-hydroxy-4,5-bis(3,4,5-trihydroxybenzoyloxy)cyclohexane-1-carboxylic acid (1R,3R,4S,5R)-3-[3,5-dihydroxy-4-(3,4,5-trihydroxybenzoyloxy)benzoyloxy]-1-hydroxy-4,5-bis(3,4,5-trihydroxybenzoyloxy)cyclohexane-1-carboxylic acid 123134-20-3 OC(=O)[C@@]1(O)C[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@H](C1)OC(=O)C1=CC(O)=C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)=C1 InChI=1S/C35H28O22/c36-15-1-11(2-16(37)25(15)44)30(47)54-23-9-35(53,34(51)52)10-24(29(23)57-33(50)13-5-19(40)27(46)20(41)6-13)55-31(48)14-7-21(42)28(22(43)8-14)56-32(49)12-3-17(38)26(45)18(39)4-12/h1-8,23-24,29,36-46,53H,9-10H2,(H,51,52)/t23-,24-,29+,35-/m1/s1 OFTCZZCLDWTQNJ-JUUXLJTDSA-N belongs to the class of organic compounds known as depsides and depsidones. These are polycyclic compounds that is either a polyphenolic compound composed of two or more monocyclic aromatic units linked by an ester bond (depside), or a compound containing the depsidone structure (depsidone). Depsides and depsidones Organic compounds Phenylpropanoids and polyketides Depsides and depsidones Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alpha hydroxy acids and derivatives Benzoyl derivatives Carbonyl compounds Carboxylic acid esters Carboxylic acids Cyclohexanols Galloyl esters Hydrocarbon derivatives Organic oxides Pentacarboxylic acids and derivatives Phenol esters Phenoxy compounds Polyols Pyrogallols and derivatives Quinic acids and derivatives Resorcinols Tertiary alcohols m-Hydroxybenzoic acid esters p-Hydroxybenzoic acid alkyl esters 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Alcohol Alpha-hydroxy acid Aromatic homomonocyclic compound Benzenetriol Benzenoid Benzoate ester Benzoic acid or derivatives Benzoyl Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Cyclitol or derivatives Cyclohexanol Depside backbone Gallic acid or derivatives Galloyl ester Hydrocarbon derivative Hydroxy acid M-hydroxybenzoic acid ester Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound P-hydroxybenzoic acid alkyl ester P-hydroxybenzoic acid ester Pentacarboxylic acid or derivatives Phenol Phenol ester Phenoxy compound Polyol Pyrogallol derivative Quinic acid Resorcinol Tertiary alcohol logp 2.65 ALOGPS logs -3.44 ALOGPS solubility 2.92e-01 g/l ALOGPS logp 4.41 ChemAxon pka_strongest_acidic 2.35 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac (1R,3R,4S,5R)-3-[3,5-dihydroxy-4-(3,4,5-trihydroxybenzoyloxy)benzoyloxy]-1-hydroxy-4,5-bis(3,4,5-trihydroxybenzoyloxy)cyclohexane-1-carboxylic acid ChemAxon average_mass 800.5836 ChemAxon mono_mass 800.10722258 ChemAxon smiles OC(=O)[C@@]1(O)C[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@H](C1)OC(=O)C1=CC(O)=C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)=C1 ChemAxon formula C35H28O22 ChemAxon inchi InChI=1S/C35H28O22/c36-15-1-11(2-16(37)25(15)44)30(47)54-23-9-35(53,34(51)52)10-24(29(23)57-33(50)13-5-19(40)27(46)20(41)6-13)55-31(48)14-7-21(42)28(22(43)8-14)56-32(49)12-3-17(38)26(45)18(39)4-12/h1-8,23-24,29,36-46,53H,9-10H2,(H,51,52)/t23-,24-,29+,35-/m1/s1 ChemAxon inchikey OFTCZZCLDWTQNJ-JUUXLJTDSA-N ChemAxon polar_surface_area 385.26 ChemAxon refractivity 182.76 ChemAxon polarizability 73.32 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 18 ChemAxon donor_count 13 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 787730 Specdb::CMs 787731 Specdb::CMs 787732 Specdb::CMs 787733 Specdb::CMs 787734 Specdb::CMs 787735 Specdb::CMs 787736 Specdb::CMs 787737 Specdb::CMs 787738 Specdb::MsMs 85518 Specdb::MsMs 85519 Specdb::MsMs 85520 Specdb::MsMs 147627 Specdb::MsMs 147628 Specdb::MsMs 147629 Specdb::MsMs 2817088 Specdb::MsMs 2817089 Specdb::MsMs 2817090 Specdb::MsMs 2888677 Specdb::MsMs 2888678 Specdb::MsMs 2888679 HMDB39345 #<Reference:0x000055ce3323b610>